(2S,3R,4S,5R)-2-[3-(苯基甲基)苯氧基]四氢吡喃-3,4,5-三醇 | 147029-82-1

• 分子结构分类: 有机化合物 - 有机氧化合物
• 中文名称: (2S,3R,4S,5R)-2-[3-(苯基甲基)苯氧基]四氢吡喃-3,4,5-三醇
• 中文别名: N-[4-(吖啶-9-基氨基)丁基]-4-(2-氯乙基-(2-羟基乙基)氨基)苯酰胺
• 英文名称: beta-D-Xylopyranoside, 3-(phenylmethyl)phenyl
• 英文别名: (2S,3R,4S,5R)-2-(3-benzylphenoxy)oxane-3,4,5-triol
• CAS: 147029-82-1
• 化学式: C₁₈H₂₀O₅
• 分子量: 316.354
• InChiKey: ZLPXDYNOUYATCC-XDNAFOTISA-N

物化性质

• 沸点：
  518.8±50.0 °C(Predicted)
• 密度：
  1.332±0.06 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  1.8
• 重原子数：
  23
• 可旋转键数：
  4
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.33
• 拓扑面积：
  79.2
• 氢给体数：
  3
• 氢受体数：
  5

反应信息

• 作为产物：
  描述：

  2,3,4-三-O-乙酰基-α-D-木吡喃糖苷溴 在 sodium tetrahydroborate 、 sodium methylate 、 三氟乙酸 、 silver(l) oxide 作用下， 以 甲醇 、 二氯甲烷 、 乙腈 为溶剂， 反应 12.5h， 生成 (2S,3R,4S,5R)-2-[3-(苯基甲基)苯氧基]四氢吡喃-3,4,5-三醇
  参考文献：
  名称：

  Glycosylated derivatives of benzophenone, benzhydrol and benzhydril as potential venous antithrombotic agents

  摘要：

  A series of glycosylated derivatives of benzophenone, benzhydrol, and benzhydril has been synthesized and evaluated for potential activity as venous antithrombotic agents. Studies on structure-activity relationships revealed that compounds having an electron-withdrawing group in the benzhydril or benzhydrol moiety, and specifically those having the beta-D-xylopyranosyl structure in the sugar moiety, were good antithrombotic agents in a rat model of venous thrombosis.

  DOI：

  10.1021/jm00059a015

文献信息

• Glycosylated derivatives of benzophenone, benzhydrol and benzhydril as potential venous antithrombotic agents
  作者：Francois Bellamy、Derek Horton、Jean Millet、Francois Picart、Soth Samreth、Jean Bernard Chazan

  DOI：10.1021/jm00059a015

  日期：1993.4

  A series of glycosylated derivatives of benzophenone, benzhydrol, and benzhydril has been synthesized and evaluated for potential activity as venous antithrombotic agents. Studies on structure-activity relationships revealed that compounds having an electron-withdrawing group in the benzhydril or benzhydrol moiety, and specifically those having the beta-D-xylopyranosyl structure in the sugar moiety, were good antithrombotic agents in a rat model of venous thrombosis.